In this study, we report the synthesis of two new copper complexes: [Cu(C11H7O2)(SCN)(C10H8N2)], denoted as (C-1), and [Cu(C11H7O2) (C12H8N2) Cl]·H2O, (C-2). They are based on 2,2′-bipyridine or 1,10-phenanthroline 2-hydroxy-1-naphtaldehyde ligands. The obtained complexes were characterized by FT-IR, UV-visible spectroscopy, single-crystal X-ray diffraction analysis. Molecular docking was emplo...

The clearance of cytomegalovirus viraemia in HIV-1-infected patients may partly result from the inhibition of cytomegalovirus protease by HIV-1 protease inhibitors contained in highly active antiretroviral therapy. We used a computational method to calculate the binding affinity of six HIV-1 protease inhibitors to cytomegalovirus protease based on its X-ray crystallography structure. The calcul...

We recently reported that HIV-1 Vif (virion infectivity factor) inhibits HIV-1 protease in vitro and in bacteria, suggesting that it may serve as the basis for the design of new protease inhibitors and treatment for HIV-1 infection. To evaluate this possibility, we synthesized peptide derivatives from the region of Vif, which inhibits protease, and tested their activity on protease. In an assay...

Human immunodeficiency virus (HIV) protease inhibitors have been successfully used in highly active antiretroviral therapy for HIV-1 infection. Treatment of patients infected with HIV with HIV protease inhibitors is unfortunately associated with a number of clinically significant metabolic abnormalities and an increased risk of premature atherosclerosis and myocardial infarction. However, the c...

Retroviral protease inhibitors (PIs) are fundamental pillars in the treatment of HIV infection and acquired immunodeficiency syndrome (AIDS). Currently used PIs are designed against HIV-1, and their effect on HIV-2 is understudied. Using a modular HIV-2 protease cassette system, inhibition profiling assays were carried out for protease inhibitors both in enzymatic and cell culture assays. Moreo...

Extensive efforts have been made to develop anti-HIV drugs from potential HIV-1 protease inhibitor1'2) since the protease inhibitors have been proven to produce immature and non-infectious viruses3'4). In order to find HIV-1 protease inhibitors and study the kinetics of inhibition of the protease, many assay methods have been devised using the protease produced by genetic engineering techniques...

protein. Gag and gag–pol must be cleaved at specific points in order to produce functional proteins. HIV-1 protease is responsible for the cleavage of the gag and gag–pol polyproteins into their functional constituent proteins, including the release of the protease itself from the gag–pol precursor.14 This key step in the maturation process of HIV-1 occurs during the final stages of the HIV lif...

Using as a template the crystal structure of SARS-CoV-2 main protease, we developed pharmacophore model functional centers protease inhibitor-binding pocket. With this model, conducted data mining conformational database FDA-approved drugs. This search brought 64 compounds that can be potential inhibitors protease. The conformations these undergone 3D fingerprint similarity clusterization. Then...

The irreversible inhibition of human immunodeficiency virus type 1 (HIV-1) and type 2 (HIV-2) proteases by 1,2-epoxy-3-(p-nitrophenoxy)propane (EPNP) and eight haloperidol derivatives has been studied. EPNP specifically inhibits HIV-1 and HIV-2 proteases with a stoichiometry of one EPNP molecule/dimeric enzyme. The site of modification of HIV-2 protease by EPNP has been unambiguously identified...

Dimerization of HIV protease is essential for the acquisition of protease's proteolytic activity. We previously identified a group of HIV protease dimerization inhibitors, including darunavir (DRV). In the present work, we examine whether loss of DRV's protease dimerization inhibition activity is associated with HIV development of DRV resistance. Single amino acid substitutions, including I3A, ...